2-(6-methyl-1-benzofuran-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(6-methyl-1-benzofuran-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(6-methylbenzofuran-3-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(6-methyl-3-benzofuranyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(6-methyl-1-benzofuran-3-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(6-methylbenzofuran-3-yl)-1-(4-tosylpiperazino)ethanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=COC4=C3C=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=COC4=C3C=CC(=C4)C

InChI

InChI=1S/C22H24N2O4S/c1-16-3-6-19(7-4-16)29(26,27)24-11-9-23(10-12-24)22(25)14-18-15-28-21-13-17(2)5-8-20(18)21/h3-8,13,15H,9-12,14H2,1-2H3